Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Actinorhodin
CC1OC(CC(=O)[O-])Cc2c(O)c3c(c([O-])c21)C(=O)C(C1=CC(=O)c2c(O)c4c(c(O)c2C1=O)C(C)OC(CC(=O)[O-])C4)=CC3=O
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC1=c2c(O)c3c(c(O)c2=CC(CC(=O)[O-])O1)C(=O)C=C(C1=CC(=O)c2c(O)c4c(c([O-])c2C1=O)C(C)OC(CC(=O)[O-])C4)C3=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
CC1=c2c(O)c3c(c(O)c2=CC(CC(=O)[O-])O1)CC=C(C1=CC(=O)c2c(O)c4c(c([O-])c2C1=O)C(C)OC(CC(=O)[O-])C4)C3=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC1=c2c(O)c3c(c(O)c2=CC(CC(=O)[O-])O1)CC1OC1(C1=CC(=O)C2=C(O)C4=C(C(=O)C2=C1[O-])C(C)OC(CC(=O)[O-])C4)C3=O
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epoxidation · 0.02
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation